Geometry & MOs

Info

ID:	197078
PubChem CID:	78918854
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-178.28
Dipole, Da:	4.74
IP(EA), eV:	-9.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(=O)NC2CCC3(CC2)OCCO3

DOS

IR

Vibrations